Sugi Predict

Sugi Predict / Compounds / SCHEMBL1445967

SCHEMBL1445967

SCHEMBL1445967

O=C(O)CCCc1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.63
▸ HDAC1 Q13547 2/20 0.63
▸ HDAC2 Q92769 2/20 0.63
▸ HDAC8 Q9BY41 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.63
▸ HDAC5 Q9UQL6 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ HDAC4 P56524 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ HDAC7 Q8WUI4 1/20 0.63
▸ HDAC10 Q969S8 1/20 0.63
▸ HDAC11 Q96DB2 1/20 0.63
▸ HDAC9 Q9UKV0 1/20 0.63
▸ FFAR1 O14842 3/20 0.56
▸ FFAR4 Q5NUL3 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ ESR1 P03372 1/20 0.55
▸ NR3C1 P04150 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL27594133 0.95 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29676744 0.95 MAPT (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2067295 0.95 MAPT (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2066307 0.93 MAPT (0.66) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6586 0.89 FFAR1 (0.68) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL25342051 0.87 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30828038 0.86 TAAR1 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4686023 0.86 TAAR1 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4686018 0.84 TAAR1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3397240 0.84 TAAR1 (0.50) FFAR1FFAR4ESR1NR3C1PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235840-A1 ECHINOCANDIN-LIKE AND BORON-CONTAINING ECHINOCANDIN COMPOUNDS AND THEIR USE AS AGROCHEMICAL FUNGICIDES 5METIS, INC. (US) 2025-11-13 — — WO disclosed
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 — — US disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 — — US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 — — US disclosed
US-20240041837-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2024-02-08 — — US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 — — EP disclosed
US-5648503-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN (US) 1997-07-15 — — US disclosed
US-5648514-A Substituted acetylenes having retinoid-like biological activity ALLERGAN (US) 1997-07-15 — — US disclosed
US-5618943-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 — — US disclosed
US-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 — — US disclosed
US-5605915-A TREATING SKIN DISORDERS ALLERGAN 1997-02-25 — — US disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 — — US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 — — US disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 — — US disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 — — US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 HDAC3 120/4885HDAC1 672/4885HDAC2 641/4885
US-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 HDAC3 2397/4885HDAC1 2554/4885HDAC2 2405/4885
US-20240041837-A1 TRIAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD HDAC3 847/4885HDAC1 1201/4885HDAC2 1837/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 HDAC3 147/4885HDAC1 702/4885HDAC2 667/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 HDAC3 205/4885HDAC1 530/4885HDAC2 499/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 HDAC3 181/4885HDAC1 514/4885HDAC2 483/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.